6R4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O12 | sing | 1.45Å | 1.40Å | |
| O14 | C11 | doub | 1.21Å | 1.24Å | |
| O12 | C11 | sing | 1.35Å | 1.42Å | |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| O27 | C26 | doub | 1.22Å | 1.23Å | |
| C25 | N24 | sing | 1.46Å | 1.44Å | |
| O16 | S04 | doub | 1.42Å | 1.45Å | |
| C26 | N24 | sing | 1.35Å | 1.42Å | |
| C26 | N17 | sing | 1.35Å | 1.44Å | |
| N24 | C19 | sing | 1.38Å | 1.42Å | |
| C10 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | S04 | sing | 1.66Å | 1.66Å | |
| N03 | C02 | sing | 1.35Å | 1.48Å | |
| S04 | C05 | sing | 1.76Å | 1.80Å | |
| S04 | O15 | doub | 1.42Å | 1.46Å | |
| N17 | C02 | sing | 1.35Å | 1.42Å | |
| N17 | N18 | sing | 1.40Å | 1.42Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | O20 | sing | 1.35Å | 1.41Å | |
| C19 | N18 | doub | 1.30Å | 1.43Å | |
| C02 | O01 | doub | 1.22Å | 1.26Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O12 | C11 | 114.2° | 117.0° |
| O12 | C13 | H6 | 109.5° | 109.5° |
| O12 | C13 | H7 | 109.5° | 109.5° |
| O12 | C13 | H8 | 109.4° | 109.5° |
| O14 | C11 | O12 | 119.9° | 120.0° |
| O14 | C11 | C10 | 120.3° | 120.0° |
| O12 | C11 | C10 | 119.8° | 120.0° |
| C11 | C10 | C09 | 118.5° | 120.1° |
| C11 | C10 | C05 | 121.8° | 120.2° |
| O27 | C26 | N24 | 126.1° | 126.3° |
| O27 | C26 | N17 | 126.1° | 126.2° |
| C25 | N24 | C26 | 126.6° | 125.8° |
| C25 | N24 | C19 | 125.3° | 125.8° |
| N24 | C25 | H16 | 109.5° | 109.5° |
| N24 | C25 | H17 | 109.5° | 109.5° |
| N24 | C25 | H18 | 109.5° | 109.5° |
| O16 | S04 | N03 | 111.7° | 106.4° |
| O16 | S04 | C05 | 111.4° | 106.4° |
| O16 | S04 | O15 | 100.6° | 123.1° |
| N24 | C26 | N17 | 107.7° | 107.5° |
| C26 | N24 | C19 | 108.1° | 108.4° |
| C26 | N17 | C02 | 127.4° | 126.3° |
| C26 | N17 | N18 | 107.9° | 107.4° |
| N24 | C19 | O20 | 126.4° | 125.7° |
| N24 | C19 | N18 | 108.1° | 108.7° |
| C09 | C10 | C05 | 119.7° | 119.7° |
| C10 | C09 | C08 | 120.6° | 119.8° |
| C10 | C09 | H5 | 119.7° | 120.0° |
| C10 | C05 | S04 | 122.5° | 120.0° |
| C10 | C05 | C06 | 119.5° | 119.9° |
| C09 | C08 | C07 | 119.6° | 120.2° |
| C09 | C08 | H4 | 120.2° | 119.9° |
| C08 | C09 | H5 | 119.7° | 120.1° |
| S04 | N03 | C02 | 119.2° | 120.0° |
| N03 | S04 | C05 | 111.4° | 107.2° |
| N03 | S04 | O15 | 110.3° | 106.4° |
| S04 | N03 | H1 | 120.4° | 120.0° |
| N03 | C02 | N17 | 121.3° | 120.0° |
| N03 | C02 | O01 | 119.5° | 120.0° |
| C02 | N03 | H1 | 120.4° | 120.0° |
| C05 | S04 | O15 | 111.0° | 106.4° |
| S04 | C05 | C06 | 118.0° | 120.1° |
| C02 | N17 | N18 | 124.7° | 126.3° |
| N17 | C02 | O01 | 119.1° | 120.0° |
| N17 | N18 | C19 | 108.1° | 108.0° |
| C05 | C06 | C07 | 120.7° | 120.2° |
| C05 | C06 | H2 | 119.7° | 119.9° |
| O20 | C19 | N18 | 125.5° | 125.6° |
| C19 | O20 | C21 | 113.2° | 117.0° |
| C08 | C07 | C06 | 119.9° | 120.3° |
| C08 | C07 | H3 | 120.1° | 119.9° |
| C07 | C08 | H4 | 120.2° | 120.0° |
| O20 | C21 | C22 | 108.0° | 109.5° |
| O20 | C21 | H9 | 109.8° | 109.5° |
| O20 | C21 | H10 | 109.8° | 109.5° |
| C07 | C06 | H2 | 119.7° | 119.9° |
| C06 | C07 | H3 | 120.0° | 119.9° |
| C21 | C22 | C23 | 112.3° | 109.4° |
| C22 | C21 | H9 | 109.8° | 109.5° |
| C22 | C21 | H10 | 109.9° | 109.5° |
| C21 | C22 | H11 | 108.8° | 109.4° |
| C21 | C22 | H12 | 108.7° | 109.5° |
| C23 | C22 | H11 | 108.8° | 109.5° |
| C23 | C22 | H12 | 108.8° | 109.5° |
| C22 | C23 | H13 | 109.5° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.4° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H15 | 109.5° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | O12 | C11 | O14 | 11.7° | 0.0° |
| C13 | O12 | C11 | C10 | 169.2° | 180.0° |
| O12 | C13 | H6 | H7 | 120.0° | 120.1° |
| O12 | C13 | H6 | H8 | 120.0° | 119.9° |
| O12 | C13 | H7 | H8 | 120.0° | 120.0° |
| O14 | C11 | O12 | C10 | 179.1° | 180.0° |
| O14 | C11 | C10 | C09 | 121.4° | 173.3° |
| O14 | C11 | C10 | C05 | 58.4° | 7.0° |
| O12 | C11 | C10 | C09 | 57.8° | 6.7° |
| O12 | C11 | C10 | C05 | 122.5° | 172.9° |
| C11 | O12 | C13 | H6 | 180.0° | 60.0° |
| C11 | O12 | C13 | H7 | 60.0° | 180.0° |
| C11 | O12 | C13 | H8 | 60.0° | 60.0° |
| C11 | C10 | C09 | C05 | 179.8° | 179.6° |
| C11 | C10 | C09 | C08 | 179.9° | 179.9° |
| C11 | C10 | C05 | S04 | 0.3° | 0.1° |
| C11 | C10 | C05 | C06 | 179.9° | 179.9° |
| C11 | C10 | C09 | H5 | 0.1° | 0.1° |
| O27 | C26 | N24 | C25 | 0.1° | 0.2° |
| O27 | C26 | N24 | N17 | 180.0° | 179.7° |
| O27 | C26 | N24 | C19 | 180.0° | 180.0° |
| O27 | C26 | N17 | C02 | 0.2° | 0.2° |
| O27 | C26 | N17 | N18 | 180.0° | 180.0° |
| C25 | N24 | C26 | C19 | 179.9° | 179.7° |
| C25 | N24 | C26 | N17 | 180.0° | 179.9° |
| C25 | N24 | C19 | O20 | 0.1° | 0.0° |
| C25 | N24 | C19 | N18 | 179.9° | 180.0° |
| N24 | C25 | H16 | H17 | 120.0° | 120.0° |
| N24 | C25 | H16 | H18 | 120.0° | 120.0° |
| N24 | C25 | H17 | H18 | 120.0° | 119.9° |
| O16 | S04 | C05 | C10 | 82.7° | 176.1° |
| O16 | S04 | N03 | C05 | 125.3° | 113.6° |
| O16 | S04 | N03 | O15 | 111.0° | 132.9° |
| O16 | S04 | N03 | C02 | 173.9° | 49.0° |
| O16 | S04 | C05 | O15 | 111.3° | 132.9° |
| O16 | S04 | C05 | C06 | 97.5° | 3.7° |
| O16 | S04 | N03 | H1 | 6.1° | 131.1° |
| N24 | C26 | N17 | C02 | 179.8° | 179.9° |
| N24 | C26 | N17 | N18 | 0.1° | 0.4° |
| C26 | N24 | C19 | O20 | 180.0° | 179.8° |
| C26 | N24 | C19 | N18 | 0.0° | 0.2° |
| C26 | N24 | C25 | H16 | 180.0° | 89.7° |
| C26 | N24 | C25 | H17 | 60.0° | 30.3° |
| C26 | N24 | C25 | H18 | 60.0° | 150.2° |
| N17 | C26 | N24 | C19 | 0.0° | 0.4° |
| C26 | N17 | C02 | N03 | 0.3° | 179.5° |
| C26 | N17 | C02 | N18 | 179.8° | 179.7° |
| C26 | N17 | N18 | C19 | 0.1° | 0.2° |
| C26 | N17 | C02 | O01 | 179.9° | 0.3° |
| N24 | C19 | N18 | N17 | 0.0° | 0.0° |
| N24 | C19 | O20 | N18 | 180.0° | 180.0° |
| N24 | C19 | O20 | C21 | 166.7° | 180.0° |
| C19 | N24 | C25 | H16 | 0.1° | 90.0° |
| C19 | N24 | C25 | H17 | 119.9° | 150.0° |
| C19 | N24 | C25 | H18 | 120.1° | 30.1° |
| C10 | C09 | C08 | H5 | 180.0° | 179.8° |
| C09 | C10 | C05 | S04 | 179.9° | 179.8° |
| C09 | C10 | C05 | C06 | 0.1° | 0.4° |
| C10 | C09 | C08 | C07 | 0.1° | 0.2° |
| C10 | C09 | C08 | H4 | 179.9° | 179.8° |
| C05 | C10 | C09 | C08 | 0.1° | 0.4° |
| C10 | C05 | S04 | N03 | 42.7° | 62.6° |
| C10 | C05 | S04 | C06 | 179.8° | 179.8° |
| C10 | C05 | S04 | O15 | 166.0° | 51.0° |
| C10 | C05 | C06 | C07 | 0.1° | 0.2° |
| C10 | C05 | C06 | H2 | 179.9° | 179.8° |
| C05 | C10 | C09 | H5 | 179.9° | 179.7° |
| C09 | C08 | C07 | H4 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.1° | 0.0° |
| C09 | C08 | C07 | H3 | 180.0° | 180.0° |
| S04 | N03 | C02 | H1 | 180.0° | 179.9° |
| N03 | S04 | C05 | O15 | 123.3° | 113.5° |
| S04 | N03 | C02 | N17 | 180.0° | 175.3° |
| N03 | S04 | C05 | C06 | 137.1° | 117.3° |
| S04 | N03 | C02 | O01 | 0.3° | 4.9° |
| C02 | N03 | S04 | C05 | 48.6° | 64.6° |
| C02 | N03 | S04 | O15 | 75.1° | 178.2° |
| N03 | C02 | N17 | O01 | 179.8° | 179.8° |
| N03 | C02 | N17 | N18 | 179.9° | 0.2° |
| S04 | C05 | C06 | C07 | 179.9° | 180.0° |
| C05 | S04 | N03 | H1 | 131.4° | 115.3° |
| S04 | C05 | C06 | H2 | 0.1° | 0.0° |
| O15 | S04 | C05 | C06 | 13.8° | 129.2° |
| O15 | S04 | N03 | H1 | 104.9° | 1.7° |
| C02 | N17 | N18 | C19 | 179.8° | 180.0° |
| N17 | C02 | N03 | H1 | 0.1° | 4.8° |
| N17 | N18 | C19 | O20 | 180.0° | 180.0° |
| N18 | N17 | C02 | O01 | 0.2° | 180.0° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C19 | O20 | C21 | C22 | 111.0° | 180.0° |
| C19 | O20 | C21 | H9 | 129.3° | 60.0° |
| C19 | O20 | C21 | H10 | 8.8° | 60.0° |
| N18 | C19 | O20 | C21 | 13.3° | 0.0° |
| O01 | C02 | N03 | H1 | 179.7° | 175.0° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C08 | C07 | C06 | H2 | 179.9° | 180.0° |
| C07 | C08 | C09 | H5 | 179.9° | 179.9° |
| O20 | C21 | C22 | H9 | 119.8° | 120.0° |
| O20 | C21 | C22 | H10 | 119.8° | 120.0° |
| O20 | C21 | C22 | C23 | 113.3° | 180.0° |
| O20 | C21 | H9 | H10 | 120.6° | 120.0° |
| O20 | C21 | C22 | H11 | 126.3° | 60.0° |
| O20 | C21 | C22 | H12 | 7.2° | 60.0° |
| C06 | C07 | C08 | H4 | 179.9° | 180.0° |
| C21 | C22 | C23 | H11 | 120.4° | 119.9° |
| C21 | C22 | C23 | H12 | 120.4° | 120.0° |
| C22 | C21 | H9 | H10 | 120.7° | 120.0° |
| C21 | C22 | H11 | H12 | 118.7° | 120.0° |
| C21 | C22 | C23 | H13 | 180.0° | 60.1° |
| C21 | C22 | C23 | H14 | 60.0° | 60.1° |
| C21 | C22 | C23 | H15 | 60.0° | 180.0° |
| C23 | C22 | C21 | H9 | 6.5° | 60.0° |
| C23 | C22 | C21 | H10 | 126.9° | 60.0° |
| C23 | C22 | H11 | H12 | 118.7° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.1° |
| C22 | C23 | H13 | H15 | 120.0° | 120.0° |
| C22 | C23 | H14 | H15 | 120.0° | 120.0° |
| H2 | C06 | C07 | H3 | 0.0° | 0.0° |
| H3 | C07 | C08 | H4 | 0.1° | 0.0° |
| H4 | C08 | C09 | H5 | 0.1° | 0.0° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H9 | C21 | C22 | H11 | 114.0° | 180.0° |
| H9 | C21 | C22 | H12 | 126.9° | 60.0° |
| H10 | C21 | C22 | H11 | 6.5° | 60.0° |
| H10 | C21 | C22 | H12 | 112.6° | 180.0° |
| H11 | C22 | C23 | H13 | 59.6° | 180.0° |
| H11 | C22 | C23 | H14 | 179.6° | 59.9° |
| H11 | C22 | C23 | H15 | 60.5° | 60.1° |
| H12 | C22 | C23 | H13 | 59.6° | 59.9° |
| H12 | C22 | C23 | H14 | 60.4° | 179.9° |
| H12 | C22 | C23 | H15 | 179.6° | 60.0° |
| H13 | C23 | H14 | H15 | 120.0° | 119.9° |
| H16 | C25 | H17 | H18 | 120.0° | 120.0° |
